1-(2-methylsulfanylpyridin-3-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylpyridin-3-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[2-(methylthio)nicotinoyl]proline Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C12H14N2O4S/c1-19-10-8(3-2-4-13-10)11(16)14-6-7(15)5-9(14)12(17)18/h2-4,7,9,15H,5-6H2,1H3,(H,17,18)